2-acetamido-3-methoxy-N,N-dimethylbenzamide

C12H16N2O3 — CID 140972358

IUPAC2-acetamido-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1NC(C)=O
InChIInChI=1S/C12H16N2O3/c1-8(15)13-11-9(12(16)14(2)3)6-5-7-10(11)17-4/h5-7H,1-4H3,(H,13,15)
InChIKeyGBVLLIIUIFCXKP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.36
Rot. Bonds3

About 2-acetamido-3-methoxy-N,N-dimethylbenzamide

2-acetamido-3-methoxy-N,N-dimethylbenzamide (PubChem CID 140972358) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-acetamido-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-acetamido-3-methoxy-N,N-dimethylbenzamide
PubChem CID140972358
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-acetamido-3-methoxy-N,N-dimethylbenzamide
SMILESCOc1cccc(C(=O)N(C)C)c1NC(C)=O
InChIInChI=1S/C12H16N2O3/c1-8(15)13-11-9(12(16)14(2)3)6-5-7-10(11)17-4/h5-7H,1-4H3,(H,13,15)
InChIKeyGBVLLIIUIFCXKP-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetyl-6-methoxyphenyl)acetamide
CID 117295660
N-[2-methoxy-6-[2-(methylamino)acetyl]phenyl]acetamide
CID 105497642
2-bromo-3-methoxy-N,N-dimethylbenzamide
CID 131254879
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
1-[2-(chloroamino)-3-methoxyphenyl]ethanone
CID 174727261
N-[2-(1-aminoethyl)-6-methoxyphenyl]acetamide
CID 117297795
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
N-[2-[[2-[(2-acetyl-6-methoxyphenyl)carbamoyl]-6-methoxyphenyl]carbamoyl]-6-methoxyphenyl]-2-amino-3-methoxybenzamide;ethane
CID 91562897
3-(2-acetamido-3-methoxyphenyl)propanoic acid
CID 105498839
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781
(2-acetamido-3-methoxyphenyl)methanesulfonyl chloride
CID 117445145
2-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethoxy]-3-methoxy-N,N-dimethylbenzamide
CID 55863991

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-acetamido-3-methoxy-N,N-dimethylbenzamide (CID 140972358) is 2-acetamido-3-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-acetamido-3-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-acetamido-3-methoxy-N,N-dimethylbenzamide is COc1cccc(C(=O)N(C)C)c1NC(C)=O.
What is the InChIKey of 2-acetamido-3-methoxy-N,N-dimethylbenzamide?
The InChIKey is GBVLLIIUIFCXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)13-11-9(12(16)14(2)3)6-5-7-10(11)17-4/h5-7H,1-4H3,(H,13,15).
What are the key properties of 2-acetamido-3-methoxy-N,N-dimethylbenzamide?
2-acetamido-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 236.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 140972358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).